1-(4-Pyridyl)piperazine - ≥97% , CAS No.1008-91-9

CAS: 1008-91-9 Cat. No.: P113741 Molecular Weight: 163.22 Beilstein Registry Number: 23(5)3,48 EC Number: 213-764-7

GRADE & PURITY ≥97%

Synonyms

A925392 | 4-(4-pyridyl)piperazine | BP-12527 | BBL021057 | FT-0605777 | 1-pyridin-4-ylpiperazine | 1-Pyridin-4-yl-piperazine | (3Z)-3-[(4-fluorophenyl)imino]-2,3-dihydro-1H-indol-2-one | BDBM50106393 | Z104507050 | EINECS 213-764-7 | (4-pyridyl)piperazine

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Product Description
1-(4-Pyridyl) piperazine (or 4-Piperazinopyridine) is an active structural component that is used as a building block to prepare various medicinally important active molecules.

Product Application

1-(4-Pyridyl) piperazine can be used as a building block for the synthesis of：

• Nocathiacin I analogs for antibacterial studies.
• 4-amino-pyridyl derivatives, benzimido isoquinoline based derivatives and tert-pentylphenoxyalkyl piperazine derivatives for various biological applications.

Specifications

Synonyms

A925392 | 4-(4-pyridyl)piperazine | BP-12527 | BBL021057 | FT-0605777 | 1-pyridin-4-ylpiperazine | 1-Pyridin-4-yl-piperazine | (3Z)-3-[(4-fluorophenyl)imino]-2, 3-dihydro-1H-indol-2-one | BDBM50106393 | Z104507050 | EINECS 213-764-7 | (4-pyridyl)piperazine

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504754544
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754544
• Canonical Smiles: C1CN(CCN1)C2=CC=NC=C2
• IUPAC Name: 1-pyridin-4-ylpiperazine
• InChIKey: OQZBAQXTXNIPRA-UHFFFAOYSA-N
• INCHI: 1S/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2
• Isomeric SMILES: C1CN(CCN1)C2=CC=NC=C2
• WGK Germany: 3
• UN Number: 3259
• Molecular Weight: 163.22
• Beilstein: 23(5)3,48
• Reaxy-Rn: 609705
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=609705&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aminopyridines and derivatives Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Pyridine - Heteroaromatic compound - Tertiary amine - Secondary aliphatic amine - Secondary amine - Azacycle - Organopnictogen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

Discover Target: ADRB2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLD1 Tchem Phospholipase D1 (469 Activities)

Discover Target: PLD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NCF1 Tbio Neutrophil cytosol factor 1 (245 Activities)

Discover Target: NCF1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Air sensitive.
• Boil Point(°C): 195-200°C
• Melt Point(°C): 135-137°C
• Molecular Weight: 163.220 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.111 Da
• Monoisotopic Mass: 163.111 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 126.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Xian Xie, Yanzhuo Gou, Kai Zhang, Wei Zhang, Jiaqi Zhang, Jie Liu, Shihao He, Jinhua Li, Xianbao Wang, Liangyou Lin.  (2025)  From foe to friend: Taming the δ-phase of FAPbI3 for oriented growth and high-performance perovskite solar cells.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.172307]